isoquinolin-5-ylmethyl-methyl-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]azanium Openeye Name: 5-isoquinolylmethyl-methyl-[[3-[1-(p-tolyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]ammonium CAS Name: 5-isoquinolinylmethyl-methyl-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-methyl-[[3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]azanium Traditional Name: 5-isoquinolylmethyl-methyl-[[3-[1-(p-tolyl)cyclopentyl]-1,2,4-oxadiazol-5-yl]methyl]ammonium Formula: C26H29N4O+ MolecularWeight: 413.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+](C)CC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C3=NOC(=N3)C[NH+](C)CC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H28N4O/c1-19-8-10-22(11-9-19)26(13-3-4-14-26)25-28-24(31-29-25)18-30(2)17-21-7-5-6-20-16-27-15-12-23(20)21/h5-12,15-16H,3-4,13-14,17-18H2,1-2H3/p+1